ADL: How to get highest binding energy

Oleg Trott trott at scripps.edu
Fri Nov 15 15:58:18 PST 2013


Hi

If by "highest binding energy" you mean "most likely to bind in a set
of ligands", then the Vina manual includes a Python script in the
section titled "Selecting Best Results". You may want to read other
sections of the manual as well.

On Thu, Nov 14, 2013 at 1:35 PM, Mahesh <vmahesh at ibab.ac.in> wrote:
> Dear all,
>
> Could some help me to get highest binding energy in Autodock vina, What are
> all the parameter need to change for getting highest binding energy ?
>
>
>
>
> Thnaking you,
> regards
> Mahesh
> ________________________________________________
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-- 
Oleg Trott, Ph.D. (Columbia University)

Staff Scientist in the Olson Lab
The Scripps Research Institute

http://olegtrott.com


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